2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C17H26N2OS — CID 83264334

IUPAC2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2C)N(CCCSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-5-15-17(20)19(9-6-10-21-4)16(18-15)14-8-7-12(2)11-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3
InChIKeySLMFVJDWRIWWIN-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83264334) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83264334
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2C)N(CCCSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-5-15-17(20)19(9-6-10-21-4)16(18-15)14-8-7-12(2)11-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3
InChIKeySLMFVJDWRIWWIN-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
2-(2,5-dimethylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257120
5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264187
5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264326
2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263514
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83237112
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
3,5-diethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83239063
3-(2-cyclopropylethyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83258610
3-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83264334) is 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CCC1NC(c2ccc(C)cc2C)N(CCCSC)C1=O.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is SLMFVJDWRIWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-5-15-17(20)19(9-6-10-21-4)16(18-15)14-8-7-12(2)11-13(14)3/h7-8,11,15-16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 306.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).